CID 68997050

1423032-62-5

Structural Information

Molecular Formula

C₈H₁₄N₄

SMILES

C1CNCCC1CN2C=CN=N2

InChI

InChI=1S/C8H14N4/c1-3-9-4-2-8(1)7-12-6-5-10-11-12/h5-6,8-9H,1-4,7H2

InChIKey

IRPFSJQQONMYDX-UHFFFAOYSA-N

Compound name

4-(triazol-1-ylmethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 166.12184 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	167.12912	137.8
[M+Na]+	189.11106	143.4
[M-H]-	165.11456	136.7
[M+NH4]+	184.15566	153.3
[M+K]+	205.08500	140.5
[M+H-H2O]+	149.11910	128.0
[M+HCOO]-	211.12004	153.7
[M+CH3COO]-	225.13569	148.3
[M+Na-2H]-	187.09651	142.5
[M]+	166.12129	131.4
[M]-	166.12239	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe